CID 5288076

5,12-naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-.alpha.-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-1,8,11-trihydroxy-8-(hydroxyacetyl)-, (8s,10s)-

Structural Information

Molecular Formula
C26H27NO10
SMILES
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)(C(=O)CO)O)N)O
InChI
InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18-,22+,26-/m0/s1
InChIKey
ROILTUODAPUWLG-NRFWZUBKSA-N
Compound name
(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

513.1635 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.17078 216.9
[M+Na]+ 536.15272 221.6
[M-H]- 512.15622 219.1
[M+NH4]+ 531.19732 222.5
[M+K]+ 552.12666 220.8
[M+H-H2O]+ 496.16076 208.6
[M+HCOO]- 558.16170 219.2
[M+CH3COO]- 572.17735 246.4
[M+Na-2H]- 534.13817 215.4
[M]+ 513.16295 215.2
[M]- 513.16405 215.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.